General Information of the Compound
| Compound ID |
CP0453921
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| Compound Name |
3,6-diethyl-N-((1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl)-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC
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| InChI |
InChI=1S/C24H28N4O2/c1-5-18-23(28-22-17-10-8-7-9-16(17)14-20(22)29-4)26-19(6-2)24(27-18)30-21-13-15(3)11-12-25-21/h7-13,20,22H,5-6,14H2,1-4H3,(H,26,28)/t20-,22+/m0/s1
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| InChIKey |
GCCNDJMGLBASBD-RBBKRZOGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound